Geometry & MOs

Info

ID:	188615
PubChem CID:	77742281
Reduced:	BrN4O4C23H27 (1)
Stoich.:	AB4C4D23E27 (1)
Weight, g/mol:	513.193357
ΔH_f, kcal/mol:	-137.65
Dipole, Da:	6.53
IP(EA), eV:	-9.49(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[4-methyl-1-oxo-1-(1-oxo-1,4-thiazinan-2-yl)pentan-2-yl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C#N)NC(=O)C1CCCCC1(C2=C(NC3=C2C=CC(=C3)Br)C(=O)O)C(=O)N

DOS

IR

Vibrations